6-(3-cyano-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-2-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-5-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C107H80F18N30O10S7 — CID 159432964

IUPAC6-(3-cyano-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-2-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-5-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3cc(C(F)(F)F)ccn3)c2c1.Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3ccccc3)c2c1.Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3cncs3)c2c1.Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3ncccn3)c2c1.Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3nccs3)c2c1
InChIInChI=1S/C23H16F6N6O2S.C23H18F3N5O2S.C21H16F3N7O2S.2C20H15F3N6O2S2/c1-12-7-18-20(33-10-12)16(9-30)21(35(18)19-8-14(5-6-31-19)23(27,28)29)17-4-3-15(11-32-17)38(36,37)34-13(2)22(24,25)26;1-14-10-20-21(29-12-14)18(11-27)22(31(20)16-6-4-3-5-7-16)19-9-8-17(13-28-19)34(32,33)30-15(2)23(24,25)26;1-12-8-17-18(29-10-12)15(9-25)19(31(17)20-26-6-3-7-27-20)16-5-4-14(11-28-16)34(32,33)30-13(2)21(22,23)24;1-11-5-16-18(27-7-11)14(6-24)19(29(16)17-9-25-10-32-17)15-4-3-13(8-26-15)33(30,31)28-12(2)20(21,22)23;1-11-7-16-17(27-9-11)14(8-24)18(29(16)19-25-5-6-32-19)15-4-3-13(10-26-15)33(30,31)28-12(2)20(21,22)23/h3-8,10-11,13,34H,1-2H3;3-10,12-13,15,30H,1-2H3;3-8,10-11,13,30H,1-2H3;3-5,7-10,12,28H,1-2H3;3-7,9-10,12,28H,1-2H3/t13-;15-;13-;2*12-/m00000/s1
InChIKeyLRFGUODONDZDHZ-XBIGYHKGSA-N
MW2512.45 g/mol
LogP20.60
Rot. Bonds25

About 6-(3-cyano-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-2-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-5-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

6-(3-cyano-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-2-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-5-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 159432964) has the molecular formula C107H80F18N30O10S7 and a molecular weight of 2512.45 g/mol. Its IUPAC name is 6-(3-cyano-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-2-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-5-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-cyano-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-2-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-5-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
PubChem CID159432964
Molecular FormulaC107H80F18N30O10S7
Molecular Weight2512.45 g/mol
Exact Mass2510.44
IUPAC Name6-(3-cyano-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-2-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-5-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3cc(C(F)(F)F)ccn3)c2c1.Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3ccccc3)c2c1.Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3cncs3)c2c1.Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3ncccn3)c2c1.Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3nccs3)c2c1
InChIInChI=1S/C23H16F6N6O2S.C23H18F3N5O2S.C21H16F3N7O2S.2C20H15F3N6O2S2/c1-12-7-18-20(33-10-12)16(9-30)21(35(18)19-8-14(5-6-31-19)23(27,28)29)17-4-3-15(11-32-17)38(36,37)34-13(2)22(24,25)26;1-14-10-20-21(29-12-14)18(11-27)22(31(20)16-6-4-3-5-7-16)19-9-8-17(13-28-19)34(32,33)30-15(2)23(24,25)26;1-12-8-17-18(29-10-12)15(9-25)19(31(17)20-26-6-3-7-27-20)16-5-4-14(11-28-16)34(32,33)30-13(2)21(22,23)24;1-11-5-16-18(27-7-11)14(6-24)19(29(16)17-9-25-10-32-17)15-4-3-13(8-26-15)33(30,31)28-12(2)20(21,22)23;1-11-7-16-17(27-9-11)14(8-24)18(29(16)19-25-5-6-32-19)15-4-3-13(10-26-15)33(30,31)28-12(2)20(21,22)23/h3-8,10-11,13,34H,1-2H3;3-10,12-13,15,30H,1-2H3;3-8,10-11,13,30H,1-2H3;3-5,7-10,12,28H,1-2H3;3-7,9-10,12,28H,1-2H3/t13-;15-;13-;2*12-/m00000/s1
InChIKeyLRFGUODONDZDHZ-XBIGYHKGSA-N
XLogP20.60
TPSA567.80 Ų
H-Bond Donors5
H-Bond Acceptors37
Rotatable Bonds25
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002512.45
LogP ≤ 520.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1037

Analyze 6-(3-cyano-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-2-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-5-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide with MolForge

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Related Compounds

6-[3-cyano-6-methyl-1-(1,3-thiazol-4-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 66734818
6-[3-cyano-6-methyl-1-(1,3-thiazol-2-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 66738068
6-[3-cyano-6-methyl-1-(1,3-thiazol-4-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
CID 77182013
6-[3-cyano-6-methyl-1-(1,3-thiazol-2-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
CID 77182843
8-Methyl-3-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-7-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indolizine-2-carbonitrile
CID 124120054
1-[2-(4-Methylsulfonylpiperazin-1-yl)ethyl]-6-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indolizine-2-carbonitrile
CID 124120345
2-[[6-[(1S,4S)-5-[3-(dimethylamino)propylsulfonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 141743238
4-Ethylsulfinyl-3-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline;8-ethylsulfonyl-7-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1,6-naphthyridine
CID 157151031
6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(cyclobutylmethyl)pyridine-3-sulfonamide;6-[3-cyano-6-fluoro-1-(5-fluoropyrimidin-2-yl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrazin-2-yl-6-(trifluoromethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyridin-2-yl-6-(trifluoromethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrimidin-2-yl-6-(trifluoromethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 157167151
2-(3-Ethylsulfonyl-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3,6-dimethylimidazo[4,5-c]pyridine;2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3,6-dimethylimidazo[4,5-c]pyridine;2-(3-ethylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3,6-dimethylimidazo[4,5-b]pyridine;2-(3-ethylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3,6-dimethylimidazo[4,5-c]pyridine;2-[3-ethylsulfonyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,6-dimethylimidazo[4,5-b]pyridine;2-[3-ethylsulfonyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,6-dimethylimidazo[4,5-c]pyridine
CID 157319668
6-[3-cyano-1-(5-fluoro-2-pyridinyl)-6-methylpyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-2-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-3-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-4-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 157345901
6-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridin-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide
CID 157364623

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-2-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-5-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-(3-cyano-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-2-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-5-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 159432964) is 6-(3-cyano-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-2-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-5-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(3-cyano-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-2-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-5-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(3-cyano-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-2-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-5-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3cc(C(F)(F)F)ccn3)c2c1.Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3ccccc3)c2c1.Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3cncs3)c2c1.Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3ncccn3)c2c1.Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3nccs3)c2c1.
What is the InChIKey of 6-(3-cyano-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-2-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-5-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The InChIKey is LRFGUODONDZDHZ-XBIGYHKGSA-N. The full InChI is InChI=1S/C23H16F6N6O2S.C23H18F3N5O2S.C21H16F3N7O2S.2C20H15F3N6O2S2/c1-12-7-18-20(33-10-12)16(9-30)21(35(18)19-8-14(5-6-31-19)23(27,28)29)17-4-3-15(11-32-17)38(36,37)34-13(2)22(24,25)26;1-14-10-20-21(29-12-14)18(11-27)22(31(20)16-6-4-3-5-7-16)19-9-8-17(13-28-19)34(32,33)30-15(2)23(24,25)26;1-12-8-17-18(29-10-12)15(9-25)19(31(17)20-26-6-3-7-27-20)16-5-4-14(11-28-16)34(32,33)30-13(2)21(22,23)24;1-11-5-16-18(27-7-11)14(6-24)19(29(16)17-9-25-10-32-17)15-4-3-13(8-26-15)33(30,31)28-12(2)20(21,22)23;1-11-7-16-17(27-9-11)14(8-24)18(29(16)19-25-5-6-32-19)15-4-3-13(10-26-15)33(30,31)28-12(2)20(21,22)23/h3-8,10-11,13,34H,1-2H3;3-10,12-13,15,30H,1-2H3;3-8,10-11,13,30H,1-2H3;3-5,7-10,12,28H,1-2H3;3-7,9-10,12,28H,1-2H3/t13-;15-;13-;2*12-/m00000/s1.
What are the key properties of 6-(3-cyano-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-2-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-5-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
6-(3-cyano-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-2-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-5-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 2512.45 g/mol, XLogP of 20.60, 25 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyano-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-2-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-5-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 159432964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).